SCHEMBL19827628

SCHEMBL19827628

COc1nc(N)nc2c1ncn2C1OC(COP(=O)(O)OCC(=O)OC(C)C)CC1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.38
▸ FUT5 Q11128 1/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ P2RY1 P47900 5/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ P2RY11 Q96G91 2/20 0.35
▸ P2RX1 P51575 2/20 0.35
▸ P2RX3 P56373 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RY6 Q15077 1/20 0.35
▸ RNASEL Q05823 1/20 0.35
▸ SRC P12931 1/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19186747 0.89 NT5E (0.41) NT5EFUT5IMPDH2IMPDH1P2RY1
SCHEMBL19827519 0.86 NT5E (0.37) NT5EFUT5IMPDH2IMPDH1P2RY1
SCHEMBL19525764 0.85 ADORA1 (0.37) NT5E
SCHEMBL19827534 0.84 NT5E (0.36) NT5EFUT5IMPDH2IMPDH1P2RY1
SCHEMBL23010227 0.83 NT5E (0.38) NT5EP2RY1P2RY11
SCHEMBL19187036 0.82 NT5E (0.41) NT5EFUT5IMPDH2IMPDH1P2RY1
SCHEMBL19827565 0.81 NT5E (0.38) NT5EFUT5IMPDH2IMPDH1P2RY1
SCHEMBL20056907 0.80 NT5E (0.40) NT5EFUT5IMPDH2IMPDH1P2RY1
SCHEMBL19186685 0.79 NT5E (0.32) NT5E
SCHEMBL19392093 0.79 CYP3A4 (0.44) NT5E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852605-B1 3',5'-CYCLIC PHOSPHATE PRODRUGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-01-31 — — EP disclosed
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